Y85
Summary
| Name: | 2-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyridine |
| Formula: | C17 H20 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 289.8 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]pyridine |
| OpenEye OEToolkits | 2.0.7 | 2-[(2-~{tert}-butyl-4-chloranyl-5-methyl-phenoxy)methyl]pyridine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)(C)c1cc(Cl)c(C)cc1OCc1ccccn1 |
| InChI | InChI | 1.06 | InChI=1S/C17H20ClNO/c1-12-9-16(14(10-15(12)18)17(2,3)4)20-11-13-7-5-6-8-19-13/h5-10H,11H2,1-4H3 |
| InChIKey | InChI | 1.06 | KQIGLGDKJBBQKD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(OCc2ccccn2)c(cc1Cl)C(C)(C)C |
| SMILES | CACTVS | 3.385 | Cc1cc(OCc2ccccn2)c(cc1Cl)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Cl)C(C)(C)C)OCc2ccccn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(cc1Cl)C(C)(C)C)OCc2ccccn2 |
